2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride

C21H27ClN2O2 — CID 119747038

IUPAC2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride
SMILESCOc1ccccc1C1(CNC(=O)Cc2ccc(N)cc2)CCCC1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-25-19-7-3-2-6-18(19)21(12-4-5-13-21)15-23-20(24)14-16-8-10-17(22)11-9-16;/h2-3,6-11H,4-5,12-15,22H2,1H3,(H,23,24);1H
InChIKeyDUCLTEFQDCWUAU-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.87
Rot. Bonds6

About 2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride

2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride (PubChem CID 119747038) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride
PubChem CID119747038
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride
SMILESCOc1ccccc1C1(CNC(=O)Cc2ccc(N)cc2)CCCC1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-25-19-7-3-2-6-18(19)21(12-4-5-13-21)15-23-20(24)14-16-8-10-17(22)11-9-16;/h2-3,6-11H,4-5,12-15,22H2,1H3,(H,23,24);1H
InChIKeyDUCLTEFQDCWUAU-UHFFFAOYSA-N
XLogP3.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]acetamide
CID 110446469
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120927497
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 138034178
2-(4-aminophenyl)-N-[(1-methylcyclopentyl)methyl]acetamide;hydrochloride
CID 119780541
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide
CID 60569140
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 110444850
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide
CID 110478355
3-(3-methoxyphenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]propanamide
CID 60569078
1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea
CID 110445118
2-(4-aminophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 119749794

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride (CID 119747038) is 2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride is COc1ccccc1C1(CNC(=O)Cc2ccc(N)cc2)CCCC1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride?
The InChIKey is DUCLTEFQDCWUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c1-25-19-7-3-2-6-18(19)21(12-4-5-13-21)15-23-20(24)14-16-8-10-17(22)11-9-16;/h2-3,6-11H,4-5,12-15,22H2,1H3,(H,23,24);1H.
What are the key properties of 2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride?
2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119747038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).